Unified analytical treatment of two-electron multicenter integrals of central and noncentral interaction potentials over Slater orbitals


Guseinov I.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, cilt.100, ss.206-207, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 100 Konu: 2
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1002/qua.20225
  • Dergi Adı: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
  • Sayfa Sayıları: ss.206-207

Özet

The complete orthonormal sets of psi(alpha)-exponential-type orbitals (ETOs) (alpha = 1, 0, -1, -2,...) introduced by the author for expanding Slater-type orbitals (STOs) enable two-electron multicenter integrals of arbitrary central and noncentral interaction potentials (CIPs and NCIPs) to be reduced to one-center two-electron integrals. These one-center integrals are advantageously reduced using Fourier convolution methods. (C) 2004 Wiley Periodicals, Inc.